[gmx-users] (no subject)

[Christoph Freudenberger]

Use g_energy to calculate the potential enenergy.

DHvap=RT-Epot

Be careful with the dimensions.

PeiQuan Chen wrote:
> Dear gmx-users：
> 
>   Can anybody tell me that how to compute DH vap?
>   
> Sincerely yours
> ---- 
> PeiQuan Chen
> ________________________________________________________________________
> PeiQuan Chen 	Department of Chemistry, Nankai University
> WeiJin Road 94, TianJin, 300071, P.R.China
> phone:	(86)2223506728		Mobile Phone: (+86)13920675030
> gromacs at 163.com	
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> 
> 
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-- 
Christoph Freudenberger
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785